Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bbd3f2160dad64e65bac8cdc1c1a416e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.181,
"b": 41.071,
"c": 71.843,
"alpha": 90.00,
"beta": 104.41,
"gamma": 90.00
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.9320,1.440],
"number_observations_unique": 41590,
"quality_factors": [
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.440],
"number_observations": 8088,
"number_observations_unique": 1991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.102
}
]
},
{
"resolution_limits": [31.930,7.900],
"number_observations": 1200,
"number_observations_unique": 276,
"quality_factors": [
{
"type": "I/SigI",
"value": 29.200
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}